Visualizations of transition dipoles, charge transfer, and electron-hole coherence on electronic state transitions between excited states for two-photon absorption.
(2008) In Journal of Chemical Physics 128(6).- Abstract
- The one-photon absorption (OPA) properties of donor-pi-bridge-acceptor-pi-bridge-donor (D-pi-A-pi-D)-type 2,1,3-benzothiadiazoles (BTD) were studied with two dimensional (2D) site and three dimensional (3D) cube representations. The 2D site representation reveals the electron-hole coherence on electronic state transitions from the ground state. The 3D representation shows the orientation of transition dipole moment with transition density, and the charge redistribution on the excited states with charge difference density. In this paper, we further developed the 2D site and 3D cube representations to investigate the two-photon absorption (TPA) properties of D-pi-A-pi-D-type BTD on electronic transitions between excited states. With the new... (More)
- The one-photon absorption (OPA) properties of donor-pi-bridge-acceptor-pi-bridge-donor (D-pi-A-pi-D)-type 2,1,3-benzothiadiazoles (BTD) were studied with two dimensional (2D) site and three dimensional (3D) cube representations. The 2D site representation reveals the electron-hole coherence on electronic state transitions from the ground state. The 3D representation shows the orientation of transition dipole moment with transition density, and the charge redistribution on the excited states with charge difference density. In this paper, we further developed the 2D site and 3D cube representations to investigate the two-photon absorption (TPA) properties of D-pi-A-pi-D-type BTD on electronic transitions between excited states. With the new developed 2D site and 3D cube representations, the orientation of transition dipole moment, the charge redistribution, and the electron-hole coherence for TPA of D-pi-A-pi-D-type BTD on electronic state transitions between excited states were visualized, which promote deeper understanding to the optical and electronic properties for OPA and TPA. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/1041799
- author
- Sun, Mengtao LU ; Chen, Jianing and Xu, Hongxing LU
- organization
- publishing date
- 2008
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Chemical Physics
- volume
- 128
- issue
- 6
- article number
- 064106
- publisher
- American Institute of Physics (AIP)
- external identifiers
-
- pmid:18282027
- wos:000253238200009
- scopus:39349106200
- ISSN
- 0021-9606
- DOI
- 10.1063/1.2829407
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Solid State Physics (011013006), Chemical Physics (S) (011001060)
- id
- a22d9003-394d-4c27-9e4a-91dc5e4b2353 (old id 1041799)
- date added to LUP
- 2016-04-01 11:59:41
- date last changed
- 2022-04-21 00:52:41
@article{a22d9003-394d-4c27-9e4a-91dc5e4b2353,
abstract = {{The one-photon absorption (OPA) properties of donor-pi-bridge-acceptor-pi-bridge-donor (D-pi-A-pi-D)-type 2,1,3-benzothiadiazoles (BTD) were studied with two dimensional (2D) site and three dimensional (3D) cube representations. The 2D site representation reveals the electron-hole coherence on electronic state transitions from the ground state. The 3D representation shows the orientation of transition dipole moment with transition density, and the charge redistribution on the excited states with charge difference density. In this paper, we further developed the 2D site and 3D cube representations to investigate the two-photon absorption (TPA) properties of D-pi-A-pi-D-type BTD on electronic transitions between excited states. With the new developed 2D site and 3D cube representations, the orientation of transition dipole moment, the charge redistribution, and the electron-hole coherence for TPA of D-pi-A-pi-D-type BTD on electronic state transitions between excited states were visualized, which promote deeper understanding to the optical and electronic properties for OPA and TPA.}},
author = {{Sun, Mengtao and Chen, Jianing and Xu, Hongxing}},
issn = {{0021-9606}},
language = {{eng}},
number = {{6}},
publisher = {{American Institute of Physics (AIP)}},
series = {{Journal of Chemical Physics}},
title = {{Visualizations of transition dipoles, charge transfer, and electron-hole coherence on electronic state transitions between excited states for two-photon absorption.}},
url = {{http://dx.doi.org/10.1063/1.2829407}},
doi = {{10.1063/1.2829407}},
volume = {{128}},
year = {{2008}},
}